SCHEMBL7706718

SCHEMBL7706718

O=C1c2cccc3cc(O)cc(c23)C(=O)N1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.70
FEN1 P39748 2/20 0.70
ERCC4 Q92889 2/20 0.70
BRD1 O95696 1/20 0.53
TAF1 P21675 1/20 0.53
BRPF1 P55201 1/20 0.53
MPO P05164 1/20 0.49
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HDAC3 O15379 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8927321 0.85 BRD1 (0.59) ERCC1FEN1ERCC4BRD1TAF1
SCHEMBL10703784 0.85 BRD1 (0.52) ERCC1FEN1ERCC4BRD1TAF1
SCHEMBL29410043 0.83 ERCC1 (1.00) ERCC1FEN1ERCC4MAPTPOLB
SCHEMBL132760 0.83 ERCC1 (1.00) ERCC1FEN1ERCC4MAPTPOLB
SCHEMBL7706742 0.83 ERCC1 (0.70) ERCC1FEN1ERCC4MPOMAPT
SCHEMBL7703367 0.83 ERCC1 (0.70) ERCC1FEN1ERCC4BRD1TAF1
SCHEMBL7703805 0.81 MPO (0.73) ERCC1FEN1ERCC4BRD1TAF1
SCHEMBL19985742 0.81 ERCC1 (0.68) ERCC1FEN1ERCC4BRD1TAF1
SCHEMBL4888025 0.81 ERCC1 (0.96) ERCC1FEN1ERCC4MAPTPOLB
Methane SCHEMBL20512282 0.81 ERCC1 (0.96) ERCC1FEN1ERCC4MAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed